COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.577  -1.904  -1.719  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.053  -1.035  -1.020  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.403  -1.186  -0.444  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.025  -2.429  -0.396  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.293  -2.541   0.148  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.946  -1.427   0.645  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.343  -0.181   0.606  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.069  -0.049   0.063  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.400   1.264   0.009  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.796   2.190   0.684  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.207   1.431  -0.907  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.649   1.486  -2.265  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.273   0.224  -0.712  1.00  0.00           C  
HETATM   14  C   UNL     1       0.227   0.188   0.734  1.00  0.00           C  
HETATM   15  C   UNL     1       1.485   1.057   0.867  1.00  0.00           C  
HETATM   16 BR   UNL     1       1.079   2.898   0.309  1.00  0.00          Br  
HETATM   17  C   UNL     1       2.562   0.481  -0.027  1.00  0.00           C  
HETATM   18  O   UNL     1       3.218   1.201  -0.748  1.00  0.00           O  
HETATM   19  C   UNL     1       2.796  -0.975   0.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.816  -1.823   0.563  1.00  0.00           C  
HETATM   21  C   UNL     1       0.582  -1.233   1.114  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.133  -1.873   1.855  1.00  0.00           O  
HETATM   23  C   UNL     1       3.965  -1.521  -0.518  1.00  0.00           C  
HETATM   24  C   UNL     1       4.157  -2.892  -0.480  1.00  0.00           C  
HETATM   25  C   UNL     1       3.197  -3.722   0.070  1.00  0.00           C  
HETATM   26  C   UNL     1       2.027  -3.197   0.591  1.00  0.00           C  
HETATM   27  H   UNL     1      -2.522  -3.303  -0.783  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.777  -3.506   0.186  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.935  -1.530   1.067  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.859   0.684   0.996  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.676   2.348  -0.653  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.254   2.216  -2.452  1.00  0.00           H  
HETATM   33  H   UNL     1       0.575   0.303  -1.393  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.552   0.561   1.399  1.00  0.00           H  
HETATM   35  H   UNL     1       1.826   1.051   1.902  1.00  0.00           H  
HETATM   36  H   UNL     1       4.719  -0.879  -0.950  1.00  0.00           H  
HETATM   37  H   UNL     1       5.065  -3.316  -0.882  1.00  0.00           H  
HETATM   38  H   UNL     1       3.362  -4.789   0.092  1.00  0.00           H  
HETATM   39  H   UNL     1       1.282  -3.851   1.019  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   13    3    1    1                                       
CONECT    3    8    2    4    4                                       
CONECT    4    3    3    5   27                                       
CONECT    5    6    6    4   28                                       
CONECT    6    7    5    5   29                                       
CONECT    7    8    8    6   30                                       
CONECT    8    9    7    7    3                                       
CONECT    9   10   10   11    8                                       
CONECT   10    9    9                                                 
CONECT   11   12    9   13   31                                       
CONECT   12   11   32                                                 
CONECT   13   11   14    2   33                                       
CONECT   14   15   13   21   34                                       
CONECT   15   14   17   16   35                                       
CONECT   16   15                                                      
CONECT   17   15   19   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   23   23   20   17                                       
CONECT   20   26   26   19   21                                       
CONECT   21   14   20   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   24   19   19   36                                       
CONECT   24   25   25   23   37                                       
CONECT   25   24   24   26   38                                       
CONECT   26   25   20   20   39                                       
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   23                                                      
CONECT   37   24                                                      
CONECT   38   25                                                      
CONECT   39   26                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
